COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK683440
Chemical Name: 2-amino-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-(4-ethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: CCOc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1nnc(s1)SCc1ccccc1Cl)C#N

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Molecular Weight: 578.16
Empirical Formula: C29H28ClN5O2S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 7.33
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 158
Number of rings: 5

     

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